N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: 1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-piperonyl-azepane-2-carboxamide Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N6O3/c1-16-11-21(27-23(26-16)28-10-8-24-14-28)29-9-4-2-3-5-18(29)22(30)25-13-17-6-7-19-20(12-17)32-15-31-19/h6-8,10-12,14,18H,2-5,9,13,15H2,1H3,(H,25,30)